+Open data
-Basic information
Entry | Database: PDB chemical components / ID: GEO | ||||
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Name | Name: Wikipedia | Wikipedia - Gemcitabine: Gemcitabine, sold under the brand name Gemzar, among others, is a chemotherapy medication used to treat cancers. It is used to treat testicular cancer, breast cancer, ovarian cancer, non-small cell lung cancer, pancreatic cancer, and bladder cancer... | Comment | medication, chemotherapy*YM | |
-Chemical information
Composition | Formula: C9H11F2N3O4 / Number of atoms: 29 / Formula weight: 263.198 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GEO / Model coordinates PDB-ID: 1P62 | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 5 items
PDB-1p62:
Structure of human dCK complexed with gemcitabine and ADP-MG
PDB-2no0:
C4S dCK variant of dCK in complex with gemcitabine+ADP
PDB-2vpp:
Drosophila melanogaster deoxyribonucleoside kinase successfully activates gemcitabine in transduced cancer cell lines
PDB-4pd5:
Crystal structure of vcCNT-7C8C bound to gemcitabine
PDB-6nl4:
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with gemcitabine